3235-0084 Screening compound: 3-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-naphthol

3235-0084 Screening compound: 3-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-naphthol
3235-0084 Screening compound: 3-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-naphthol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3235-0084
3-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-naphthol

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

3235-0084

Molecular Formula

C21H16N4OS (C21 H16 N4 OS)

Compound Name

3-(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-2-naphthol

IUPAC name

3-{10-thia-3568-tetraazatetracyclo[7.7.0.0^{26}.0^{1116}]hexadeca-1(9)24711(16)-pentaen-4-yl}naphthalen-2-ol

SMILES

Oc1cc2ccccc2cc1-c1nn(cnc2c3c(CCCC4)c4s2)c3n1

InChI

InChI=1S/C21H16N4OS/c26-16-10-13-6-2-1-5-12(13)9-15(16)19-23-20-18-14-7-3-4-8-17(14)27-21(18)22-11-25(20)24-19/h1-2,5-6,9-11,26H,3-4,7-8H2

InChI Key

ZGXJZVQZFJPZSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01168269

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.198

Distribution Coefficient, logD

5.146

Water Solubility, LogSw

-6.22

Polar Surface Area

49.853

Acid Dissociation Constant (pKa)

8.30

Base Dissociation Constant (pKb)

4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

3235-0084 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3235-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3235-0084?
Check Price and Availability of 3235-0084, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 3235-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3235-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3235-0084
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 3235-0084 available by request